p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester
TL;DR: p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester (CAS 21447-82-5) is a chemical compound with molecular formula C29H49Cl2NO2 and molecular weight 513.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
Also Known As: heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate, 3-(Bis(2-chloroethyl)amino)-p-toluic acid, heptadecyl ester, p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester, 3-[Bis(2-chloroethyl)amino]-p-toluic acid heptadecyl ester, 3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid heptadecyl ester
| Molecular Formula | C29H49Cl2NO2 |
|---|---|
| Molecular Weight | 513.31 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 513.314 |
| Heavy Atoms | 34 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 21447-82-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl |
| InChIKey | XVQDYVLXIXMLOS-UHFFFAOYSA-N |
Product Overview
p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester (CAS 21447-82-5), with molecular formula C29H49Cl2NO2 and molecular weight 513.31 g/mol. IUPAC: heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester
Property Insights of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester
The XLogP value of 11.7 indicates that p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester?
The CAS number of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester is 21447-82-5.
What is the molecular formula of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester?
The molecular formula of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester is C29H49Cl2NO2.
What is the molecular weight of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester?
The molecular weight of p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester is 513.31 g/mol.
Where can I buy p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester?
You can request a quote for p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, heptadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.